SCHEMBL11799490

SCHEMBL11799490

CCCCCCC(C)CNCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
LMNA P02545 4/20 0.42
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38

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
SCHEMBL11802674 0.98 ACE2 (0.40) ACE2LMNAADH1BADH1CADH1A
SCHEMBL18125232 0.92 TSHR (0.39) ACE2LMNATSHRALDH1A1HSD17B10
SCHEMBL11806787 0.92 TSHR (0.39) ACE2LMNATSHRALDH1A1HSD17B10
SCHEMBL18125162 0.92 TSHR (0.39) ACE2LMNATSHRALDH1A1HSD17B10
SCHEMBL27279914 0.87 ANPEP (0.45) ACE2LMNAADH1BADH1CADH1A
SCHEMBL24936448 0.86 TSHR (0.50) ACE2LMNAADH1BADH1CADH1A
SCHEMBL19823361 0.86 ADH1B (0.44) ACE2LMNAADH1BADH1CADH1A
SCHEMBL27283798 0.86 TSHR (0.50) ACE2LMNAADH1BADH1CADH1A
SCHEMBL11507783 0.86 TSHR (0.50) ACE2LMNAADH1BADH1CADH1A
SCHEMBL26553450 0.86 TSHR (0.50) ACE2LMNAADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3977994-A Rust inhibiting composition UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-08-31 US disclosed