SCHEMBL23864341

SCHEMBL23864341

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ MLLT1 Q03111 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34

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 0.91 KMT2A (0.36) KMT2AHDAC1HDAC6NR1H4EPHX2
SCHEMBL23864435 0.88 KMT2A (0.38) KMT2AHDAC1HDAC6NR1H4EPHX2
SCHEMBL23864571 0.82 SMN1; SMN2 (0.39) KMT2AALDH1A1MAPTRAB9ATP53
SCHEMBL23864722 0.76 ALDH1A1 (0.40) KMT2AALDH1A1TP53HTTKDM4E
SCHEMBL21900873 0.74 HSD17B1 (0.46) KMT2AALDH1A1MAPTRAB9ATP53
SCHEMBL12339916 0.70 ALDH1A1 (0.48) KMT2AALDH1A1RAB9AKLKB1KDM4E
SCHEMBL23864280 0.69 PYGL (0.53) KMT2ANR1H4EPHX2ALDH1A1KDM4E
SCHEMBL1362104 0.69 ALDH1A1 (0.54) KMT2AALDH1A1TP53TDP1PLK1
SCHEMBL26803751 0.69 IKBKB (0.42) ALDH1A1MAPTKLKB1KDM4E
SCHEMBL23864209 0.68 PTGER4 (0.51) KMT2ANR1H4EPHX2ALDH1A1TP53

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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