SCHEMBL9508631

SCHEMBL9508631

Cc1cccc(CCCC(=S)C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EGFR P00533 4/20 0.40
▸ ERBB2 P04626 3/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGER4 P35408 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ HMGB1 P09429 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BID P55957 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 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
SCHEMBL18501453 0.81 IAPP (0.57) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6580321 0.77 NPSR1 (0.55) IAPPALDH1A1KDM4EHPGDHSD17B10
Acetic Acid SCHEMBL9466871 0.76 BID (0.49) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8400520 0.76 ALDH1A1 (0.54) IAPPALDH1A1KDM4EHPGDHSD17B10
Acetic Acid SCHEMBL28009227 0.75 BID (0.48) IAPPALDH1A1KDM4EHPGDHSD17B10
Methacrylic Acid SCHEMBL6535115 0.75 BID (0.44) IAPPALDH1A1KDM4EHPGDHSD17B10
Acetone SCHEMBL27863904 0.74 IAPP (0.50) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8405872 0.73 ALDH1A1 (0.50) IAPPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29558088 0.73 ALOX5 (0.54) IAPPALDH1A1EGFRBIDBCL2L1
SCHEMBL21838 0.73 ALOX5 (0.54) IAPPALDH1A1EGFRBIDBCL2L1

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
JP-5140089-A — — None — — JP disclosed
JP-H05140089-A SUBSTITUTED PHENOL AND ITS PRODUCTION MITSUBISHI PETROCHEM CO LTD 1993-06-08 — — JP disclosed
Send feedback