SCHEMBL6724988

SCHEMBL6724988

Cc1c(C)c2c(c(C)c1OCc1cccc(I)c1)CCC(C)(C(=O)O)O2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.58
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
SLC26A3 P40879 5/20 0.39
TTPA P49638 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
SCHEMBL6597291 0.88 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL4592776 0.88 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6732328 0.82 PSEN1 (0.60) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2140140 0.79 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2140130 0.79 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11701054 0.79 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10074168 0.76 PSEN1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9257213 0.75 PSEN1 (0.67) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8421050 0.74 PSEN1 (0.58) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10535389 0.74 PSEN1 (0.43) PSEN1

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-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed