SCHEMBL23864435

SCHEMBL23864435

C=C(C)c1ccc(CNC(=C)c2cc(CC)ccc2C(=C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ MLLT1 Q03111 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ NR1H4 Q96RI1 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL23864490 0.92 KMT2A (0.36) KMT2APOLBHDAC1RAB9AHDAC6
SCHEMBL23864341 0.88 KMT2A (0.40) KMT2APOLBHDAC1RAB9AHDAC6
SCHEMBL23864571 0.83 SMN1; SMN2 (0.39) KMT2ARAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23864722 0.77 ALDH1A1 (0.40) KMT2AHTTALDH1A1TP53
SCHEMBL1362104 0.70 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1TP53
SCHEMBL23864280 0.68 PYGL (0.53) KMT2AALDH1A1NR1H4EPHX2
SCHEMBL23864221 0.68 TXNRD1 (0.38) KMT2APOLBHDAC1RAB9AHDAC6
SCHEMBL19301864 0.67 ALDH1A1 (0.46) KMT2APOLBHDAC1RAB9AHDAC6
SCHEMBL15219178 0.66 SMN1; SMN2 (0.40) KMT2APOLBHDAC1RAB9AHDAC6
SCHEMBL19415763 0.66 TRPA1 (0.42) POLBRAB9ASMN1; SMN2HTTALDH1A1

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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