SCHEMBL8366366

SCHEMBL8366366

CCCCCCc1cc(C#N)ccc1C=CC(=O)OOC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MGLL Q99685 2/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ APP P05067 4/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL3375977 0.80 THRA (0.49) THRATHRBPPARAAKR1B10AKR1B1
SCHEMBL28448006 0.79 PPARA (0.44) THRATHRBPPARAAKR1B10AKR1B1
SCHEMBL1685287 0.73 TRPV1 (0.54) HSD17B10THRATHRBTRPV1APP
SCHEMBL1685289 0.73 TRPV1 (0.54) HSD17B10THRATHRBTRPV1APP
SCHEMBL2022838 0.71 ESR1 (0.43) APPMEN1ALDH1A1KMT2AAKR1B10
SCHEMBL541542 0.71 ESR1 (0.43) APPMEN1ALDH1A1KMT2AAKR1B10
SCHEMBL7398707 0.71 TSHR (0.40) TSHRHSD17B10MGLLMEN1KMT2A
SCHEMBL30400690 0.71 PPARA (0.50) TSHRHSD17B10PPARAALDH1A1
SCHEMBL27395351 0.70 MEN1 (0.41) TSHRTRPV1MEN1ALDH1A1KMT2A
SCHEMBL11306935 0.70 EGFR (0.41) MEN1ALDH1A1KMT2A

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
WO-1999036049-A1 PHOTOSTABLE UV ABSORBENT CONTAINING α-CYANO CINNAMYL MOIETY ISP INVESTMENTS INC. (US) 1999-07-22 — — WO disclosed
US-5830441-A SUNSCREEN AGENTS ISP INVESTMENTS INC. (US) 1998-11-03 — — US disclosed
Send feedback