SCHEMBL23864280

SCHEMBL23864280

C=C(C)c1cc(F)ccc1C(=C)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.53
▸ PTGER4 P35408 5/20 0.52
▸ PTGER2 P43116 2/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ NR1H4 Q96RI1 6/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ EPHX2 P34913 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL23864722 0.84 ALDH1A1 (0.40) PYGLPTGER4PTGER2KMT2AALDH1A1
SCHEMBL23864361 0.81 PLA2G1B (0.36) PYGLPTGER4PTGER2KMT2AALDH1A1
SCHEMBL16088672 0.80 PTGER4 (0.63) PYGLPTGER4PTGER2KMT2ANR1H4
SCHEMBL23864209 0.80 PTGER4 (0.51) PYGLPTGER4PTGER2KMT2ANR1H4
SCHEMBL16127851 0.78 PTGER4 (0.67) PYGLPTGER4PTGER2KMT2ANR1H4
SCHEMBL16127850 0.78 PTGER4 (0.67) PYGLPTGER4PTGER2KMT2ANR1H4
SCHEMBL16088644 0.74 KMT2A (0.60) PYGLPTGER4PTGER2KMT2ANR1H4
SCHEMBL24735197 0.72 PTGER4 (0.74) PYGLPTGER4PTGER2NR1H4ALDH1A1
SCHEMBL29404059 0.72 PTGER4 (0.74) PYGLPTGER4PTGER2NR1H4ALDH1A1
SCHEMBL22113967 0.71 PTGER4 (0.62) PYGLPTGER4PTGER2KMT2ANR1H4

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
Send feedback