SCHEMBL11332814

SCHEMBL11332814

CCCCCOc1ccc(/C=C(\C#N)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ESR1 P03372 2/20 0.51
▸ ESR2 Q92731 2/20 0.51
▸ TP53 P04637 2/20 0.50
▸ NQO2 P16083 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLA2G4B P0C869 1/20 0.49
▸ NR5A1 Q13285 1/20 0.47
▸ RARB P10826 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL11332817 1.00 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11659439 0.99 TP53 (0.52) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11656786 0.99 TP53 (0.52) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11660429 0.99 TP53 (0.52) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL20156660 0.97 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11658644 0.95 NQO2 (0.59) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL10635627 0.95 TP53 (0.49) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL10635633 0.95 TP53 (0.49) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11656013 0.95 TP53 (0.49) ALDH1A1HPGDKDM4EESR1ESR2
SCHEMBL11655195 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4089588-A Nematic liquid crystalline mixture of α-cyanostilbenes and application thereof in image display devices U.S. PHILIPS CORPORATION (US) 1978-05-16 — — US claimed
US-4286266-A Display device U.S. PHILIPS CORPORATION (US) 1981-08-25 — — US disclosed
US-4089588-A Nematic liquid crystalline mixture of α-cyanostilbenes and application thereof in image display devices U.S. PHILIPS CORPORATION (US) 1978-05-16 — — US disclosed
US-4089588-A Nematic liquid crystalline mixture of α-cyanostilbenes and application thereof in image display devices U.S. PHILIPS CORPORATION (US) 1978-05-16 — — US disclosed
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