SCHEMBL8108947

SCHEMBL8108947

CNc1ccc(C(=O)OC)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GLA P06280 2/20 0.55
CYP1A2 P05177 1/20 0.43
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
MMP2 P08253 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
NR4A2 P43354 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALPL P05186 3/20 0.36
XDH P47989 2/20 0.36

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
SCHEMBL70624 0.83 GAA (0.67) GAAKDM4EGLACYP1A2POLB
SCHEMBL13430799 0.82 NNMT (0.39) GAAKDM4EGLAPOLBCA1
SCHEMBL8748881 0.79 KDM4E (0.44) KDM4EMAPK1MAPT
SCHEMBL23682709 0.79 PRKCI (0.32) GAAKDM4EGLA
SCHEMBL4674954 0.78 GAA (0.56) GAAKDM4EGLACYP1A2POLB
SCHEMBL16214779 0.78 KDM4E (0.32) GAAKDM4EGLA
SCHEMBL18236156 0.78 ALOX15 (0.45) GAATSHRSRC
SCHEMBL13804463 0.75 GAA (0.58) GAAKDM4EGLACYP1A2POLB
SCHEMBL1422945 0.75 KDM4E (0.58) GAAKDM4EGLACYP1A2MMP2
SCHEMBL3551459 0.75 GAA (0.58) GAAKDM4EGLACYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed