SCHEMBL23864295

SCHEMBL23864295

C=C(C)c1cccc(C)c1C(=C)Nc1ccc(CCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23864567 0.90 POLB (0.50) POLBCA12CA1CA2CA9
SCHEMBL23864564 0.84 NPC1 (0.50) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL23864512 0.80 ITGB1 (0.52) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL23864237 0.79 POLB (0.45) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL23864305 0.77 NPC1 (0.47) POLBRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL16088671 0.75 TRPV1 (0.56) POLBRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL23864524 0.74 FFAR1 (0.44) RAB9ANPC1HPGDSMN1; SMN2TRPV1
SCHEMBL23864623 0.72 ALDH1A1 (0.49) POLBCA12CA1CA2CA9
SCHEMBL23864449 0.72 ALDH1A1 (0.49) POLBCA12CA1CA2CA9
SCHEMBL23864206 0.72 POLB (0.46) POLBCA12CA1CA2CA9

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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