SCHEMBL7928494

SCHEMBL7928494

CCCOCCOc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RARB P10826 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.41
RECQL P46063 1/20 0.41
LTA4H P09960 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL991829 0.89 RARB (0.54) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL2457210 0.88 KDM4E (0.45) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL127508 0.87 LTA4H (0.50) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL322236 0.86 THRA (0.44) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL17707239 0.86 LTA4H (0.37) LMNAMAPK1MEN1KMT2ACYP3A4
SCHEMBL991315 0.85 NR5A1 (0.51) LMNAMAPK1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11672969 0.85 LTA4H (0.48) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL3167260 0.84 KDM4E (0.49) MAPK1RARBKDM4ERECQLL3MBTL1
SCHEMBL1866194 0.84 KDM4E (0.49) MAPK1RARBKDM4ERECQLL3MBTL1
SCHEMBL28556579 0.84 KDM4E (0.49) MAPK1RARBKDM4ERECQLL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
EP-0190444-B1 OPTICAL-RECORDING MEDIUM BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0190444-A1 Optical-recording medium BASF Aktiengesellschaft (DE) 1986-08-13 EP disclosed