SCHEMBL7922567

SCHEMBL7922567

CCOc1ccc(C(=O)OC(C)(C)C)cc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CREBBP Q92793 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
SLC7A5 Q01650 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALOX15 P16050 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL7922226 0.87 LMNA (0.50) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL7927917 0.86 ALDH1A1 (0.50) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL30102496 0.84 NPC1 (0.50) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL7962680 0.81 CREBBP (0.62) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL10401303 0.78 TSHR (0.44) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL1546638 0.77 CYP2C19 (0.49) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL12942077 0.74 GABRG2 (0.42) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL15423768 0.74 KCNMA1 (0.48) SMN1; SMN2NPC1USP2RAB9AHSD17B10
SCHEMBL3385153 0.74 TSHR (0.50) SMN1; SMN2NPC1USP2RAB9ATSHR
SCHEMBL4729840 0.74 KDM4E (0.57) HSD17B10TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085893-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999064033-A9 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
WO-1999064033-A1 PHOSPHODIESTERASE-V MODULATOR DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed