SCHEMBL9245352

SCHEMBL9245352

C=CCN(CC=C)C(=O)O.[Mo]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
DPP4 P27487 1/20 0.34
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCC4 O15439 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL88005 0.97 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
Hydrochloric Acid SCHEMBL2141106 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL9487265 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL8985064 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL8845450 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL9487258 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL2543501 0.94 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
Piperazine SCHEMBL8523599 0.89 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL1922708 0.87 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2CYP1A2POLB
SCHEMBL3840012 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439605-A Free of hazardous substances RACIK, DONNA INDIVIDUALLY 1995-08-08 US claimed
US-5346635-A Phosphorus-free MATERIAL INNOVATION, INC. (US) 1994-09-13 US claimed
CN-111100730-A Metal soap-based lubricating grease and preparation method thereof 中国石油化工股份有限公司 2020-05-05 CN disclosed
US-5439605-A Free of hazardous substances RACIK, DONNA INDIVIDUALLY 1995-08-08 US disclosed
US-5346635-A Phosphorus-free MATERIAL INNOVATION, INC. (US) 1994-09-13 US disclosed