SCHEMBL8975320

SCHEMBL8975320

CC(C)C=CCNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.39
CA3 P07451 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA2 P00918 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
KISS1R Q969F8 1/20 0.33
MLYCD O95822 1/20 0.30

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
SCHEMBL8975318 1.00 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL18262004 0.81 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL18262005 0.81 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9431466 0.78 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9431459 0.78 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL17268409 0.76 EPHX1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28564887 0.75 CYP2D6 (0.44) ALDH1A1POLBKISS1R
SCHEMBL10271811 0.75 KISS1R (0.40) ALDH1A1KISS1R
SCHEMBL3180753 0.74 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2611673 0.74 KISS1R (0.35) ALDH1A1KMT2AKISS1R

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-5506345-A ANTIHYPOXIC AGENTS AMERSHAM INTERNATIONAL PLC (GB) 1996-04-09 US disclosed
US-5387692-A A bisamine oxime compound containing a 2-nitroimidazole group AMERSHAM INTERNATIONAL PLC (GB) 1995-02-07 US disclosed