SCHEMBL11656013

SCHEMBL11656013

CCCCCCCCOc1ccc(C=C(C#N)c2ccc(OCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PLA2G4B P0C869 5/20 0.48
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ RARB P10826 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ PLA2G4A P47712 1/20 0.44

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
SCHEMBL10635627 1.00 TP53 (0.49) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL10635633 1.00 TP53 (0.49) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11659439 0.96 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11660429 0.96 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11656786 0.96 TP53 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11332817 0.95 ALDH1A1 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11332814 0.95 ALDH1A1 (0.52) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL20156660 0.92 ALDH1A1 (0.54) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11356097 0.91 ALDH1A1 (0.53) TP53TSHRKDM4EALDH1A1HPGD
SCHEMBL11658879 0.91 NQO2 (0.58) TP53TSHRKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4107189-A 2,3-DIPHENYLACRYLONITRILES, DYNAMIC SCATTERING IN ELECTRICAL FIELD U.S. PHILIPS CORPORATION (US) 1978-08-15 — — US disclosed
US-4011008-A DISPLAY DEVICE COMPRISING A LAYER OF LIQUID CRYSTAL U.S. PHILIPS CORPORATION (US) 1977-03-08 — — US disclosed
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