SCHEMBL10490648

SCHEMBL10490648

C=CCCCc1ccc([C]=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC4 P56524 1/20 0.36
THRB P10828 8/20 0.35
THRA P10827 6/20 0.35
FFAR1 O14842 2/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR8 Q9NR97 1/20 0.31
FAAH O00519 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL29819537 0.83 HDAC1 (0.43) HDAC1HDAC4THRBTHRAALDH1A1
SCHEMBL9458406 0.81 TSHR (0.50) TSHRHSD17B10
SCHEMBL5536600 0.78 HDAC1 (0.38) HDAC1HDAC4THRBTHRAALDH1A1
SCHEMBL11328438 0.77 TDP1 (0.48) HDAC1HDAC4THRBTHRAALDH1A1
SCHEMBL9585097 0.77 TSHR (0.39) HDAC1HDAC4FFAR1ALDH1A1USP2
SCHEMBL10341661 0.77 TSHR (0.58) TSHRHSD17B10
SCHEMBL6919173 0.75 ALDH1A1 (0.47) FFAR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11336193 0.74 TDP1 (0.52) HDAC1HDAC4THRBTHRAALDH1A1
SCHEMBL12989712 0.74 TDP1 (0.52) HDAC1HDAC4THRBTHRAALDH1A1
SCHEMBL7791414 0.74 ALDH1A1 (0.40) HDAC1HDAC4THRBTHRAALDH1A1

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
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed