SCHEMBL9101149

SCHEMBL9101149

CCCCCCOC(=O)c1ccccc1[C]=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
TSHR P16473 5/20 0.74
LMNA P02545 3/20 0.74
MAPK1 P28482 3/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10472954 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9099048 0.98 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6540138 0.94 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL17350261 0.90 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6538903 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28371509 0.87 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5072881 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2527136 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2472738 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL7219181 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP claimed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4968797-A PRESSURE-COPYABLE THERMOREACTIVE AND ELECTROCHROMIC RECORDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-4754034-A RECORDING MATERIALS, PRESSURE SENSITIVE, THERMOREACTIVE, ELECTROCHROMIC BAYER AKTIENGESELLSCHAFT (DE) 1988-06-28 US disclosed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed