SCHEMBL7772602

SCHEMBL7772602

Cc1ccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
TDP1 Q9NUW8 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
AKR1C3 P42330 2/20 0.65
SRD5A2 P31213 3/20 0.64
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.61
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LTC4S Q16873 1/20 0.50
AKR1C2 P52895 1/20 0.47
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL203260 0.90 TDP1 (0.84) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL7045921 0.90 TDP1 (0.84) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL30754379 0.90 TDP1 (0.84) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL29440676 0.90 TDP1 (0.84) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL29404709 0.88 POLB (0.80) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL48886 0.88 POLB (0.80) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL6654551 0.87 KDM4E (0.73) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL15745643 0.87 SRD5A2 (0.62) POLBTDP1L3MBTL1AKR1C3SRD5A2
SCHEMBL1538420 0.86 POLB (0.67) POLBTDP1L3MBTL1AKR1C3SRD5A2
4-Methylbenzoic Acid SCHEMBL27320298 0.86 ALDH1A1 (0.68) POLBTDP1L3MBTL1AKR1C3SRD5A2

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-0870752-B1 Bulk dyeing using quinophthalone dyestuffs BAYER AG (DE) 2001-07-25 EP disclosed
EP-0932603-A1 METHOD FOR PRODUCING 1,8-DIAMINONAPHTHALINES AND THEIR 2,3-DIHYDROPERIMIDINE DERIVATIVES BAYER AG (DE) 1999-08-04 EP disclosed
EP-0870752-A1 Bulk dyeing using quinophthalone dyestuffs BAYER AG (DE) 1998-10-14 EP disclosed
WO-1998015533-A1 METHOD FOR PRODUCING 1,8-DIAMINONAPHTHALINES AND THEIR 2,3-DIHYDROPERIMIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed