SCHEMBL9859804

SCHEMBL9859804

CCCCCCCCCCCCCCC(C)Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CTNNB1 P35222 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB2 P07550 1/20 0.39

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
SCHEMBL27318580 0.87 CYP1A2 (0.46) KMT2ASIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL10645948 0.86 KDM4E (0.45) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL6617420 0.86 KDM4E (0.45) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL9844481 0.86 KDM4E (0.45) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL9493810 0.86 KDM4E (0.45) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL28900394 0.86 KDM4E (0.44) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL11493052 0.84 CTNNB1 (0.44) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2
SCHEMBL5830799 0.83 SIGMAR1 (0.46) KMT2ASIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL7528890 0.81 CYP1A2 (0.53) SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1
SCHEMBL7058293 0.81 KMT2A (0.43) KDM4EKMT2AL3MBTL1SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013654-A Lipids from Pseudomonas, biosynthesis; bioemulsifiers for enhanced oil recovery THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-05-07 US disclosed
EP-0161511-B1 PSEUDOMONAS BACTERIA, EMULSIFYING COMPOSITION COMPRISING PSEUDOMONAS BACTERIA AND METHOD OF PRODUCING A COMPOSITION COMPRISING PSEUDOMONAS BACTERIA UNIV ILLINOIS (US) 1990-11-28 EP disclosed
EP-0161511-A2 Pseudomonas bacteria, emulsifying composition comprising pseudomonas bacteria and method of producing a composition comprising pseudomonas bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1985-11-21 EP disclosed