SCHEMBL6870385

SCHEMBL6870385

COc1ccc(C=CCC#N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TRPA1 O75762 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ CYP1A2 P05177 4/20 0.50
▸ CYP1A1 P04798 3/20 0.50
▸ CYP1B1 Q16678 3/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ TUBB4A P04350 2/20 0.50
▸ TUBB P07437 2/20 0.50
▸ TUBA3C P0DPH7 2/20 0.50
▸ TUBA1B P68363 2/20 0.50
▸ TUBA4A P68366 2/20 0.50
▸ TUBB4B P68371 2/20 0.50
▸ TUBB3 Q13509 2/20 0.50
▸ TUBB2A Q13885 2/20 0.50

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
SCHEMBL6870383 1.00 KDM4E (0.53) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL2096551 0.83 ALDH1A1 (0.52) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL2096554 0.83 ALDH1A1 (0.52) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL12047534 0.78 KDM4E (0.59) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL6882721 0.78 NFE2L2 (0.45) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL8647769 0.78 KDM4E (0.59) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL256708 0.78 KDM4E (0.59) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL6882718 0.78 NFE2L2 (0.45) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL13778032 0.77 KDM4E (0.53) KDM4ECYP3A4TSHRALDH1A1LMNA
SCHEMBL8079926 0.76 KDM4E (0.44) KDM4ECYP3A4TSHRALDH1A1LMNA

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-6703182-B1 PHOTOPOLYMERISABLE COMPOSITIONS COMPRISING SAID COMPOUNDS AND USE OF THE COMPOUNDS AS LATENT ACIDS, WHICH CAN BE ACTIVATED BY IRRADIATION WITH LIGHT CIBA SPECIALTY CHEMICALS CORPORATION 2004-03-09 — — US disclosed
EP-1105373-B1 UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SC HOLDING AG (CH) 2002-10-09 — — EP disclosed
EP-1105373-A1 UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2001-06-13 — — EP disclosed
WO-2000010972-A1 NEW UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-02 — — WO disclosed
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