SCHEMBL23864722

SCHEMBL23864722

C=C(C)c1ccc(CNC(=C)c2cc(F)ccc2C(=C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ PYGL P06737 1/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ DUSP3 P51452 2/20 0.37
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ BLM P54132 1/20 0.35
▸ PTPN7 P35236 1/20 0.35

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
SCHEMBL23864209 0.86 PTGER4 (0.51) ALDH1A1PYGLPTGER4PTGER2LMNA
SCHEMBL23864490 0.84 KMT2A (0.36) ALDH1A1KMT2AKDM4EHTTTP53
SCHEMBL23864280 0.84 PYGL (0.53) ALDH1A1PYGLPTGER4PTGER2LMNA
SCHEMBL23864361 0.80 PLA2G1B (0.36) ALDH1A1PYGLPTGER4PTGER2PLA2G1B
SCHEMBL23864435 0.77 KMT2A (0.38) ALDH1A1KMT2AHTTTP53
SCHEMBL23864571 0.76 SMN1; SMN2 (0.39) ALDH1A1LMNAKMT2AHPGDKDM4E
SCHEMBL23864341 0.76 KMT2A (0.40) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL21207989 0.73 CES2 (0.41) ALDH1A1
SCHEMBL23864723 0.69 MAPT (0.37) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL23864221 0.69 TXNRD1 (0.38) ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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