SCHEMBL7635289

SCHEMBL7635289

CCCCCCCCc1[c]cc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
STS P08842 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 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
SCHEMBL8683079 0.80 CNR2 (0.44) CNR2
SCHEMBL6014093 0.77 MEN1 (0.36) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL8683078 0.77 SHBG (0.41) SMN1; SMN2SHBGCYP3A4HIF1A
SCHEMBL10512613 0.77 PTGS2 (0.50) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL828819 0.77 PTGS2 (0.50) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1778094 0.77 PTGS2 (0.50) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL829405 0.77 PTGS2 (0.50) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL4762927 0.75 ESR1 (0.48) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1243639 0.75 PTGS2 (0.40) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL4624237 0.75 PTGS2 (0.40) ALDH1A1KCNH2ESR1ADRA2AADORA3

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-6469198-B2 OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US claimed
EP-0128012-B1 NOVEL CHIRAL COPPER COMPLEX AND ASYMMETRIC SYNTHESIS OF CYCLOPROPANECARBOXYLATE DERIVATIVES USING SAID COMPLEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-11-20 EP claimed