SCHEMBL8897912

SCHEMBL8897912

CCOC(=O)C(N)[C](CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CAD P27708 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.35
CPB2 Q96IY4 2/20 0.35
METAP2 P50579 3/20 0.33
METAP1 P53582 3/20 0.33
HPGD P15428 2/20 0.33
PIN1 Q13526 1/20 0.33

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
SCHEMBL338079 0.85 ALOX15 (0.52) ALOX15SOAT1ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL275716 0.82 ALOX15 (0.50) ALOX15SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL5184951 0.81 ALOX15 (0.44) ALOX15SOAT1ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL3023532 0.79 ALOX15 (0.42) ALOX15SOAT1ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL3023531 0.79 ALOX15 (0.42) ALOX15SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL4405650 0.78 ALOX15 (0.46) ALOX15SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL1340978 0.78 ALDH1A1 (0.48) ALOX15SOAT1ALDH1A1LMNAHSD17B10
Acetic Acid SCHEMBL28002636 0.78 ALDH1A1 (0.48) ALOX15SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL15083214 0.78 ALOX15 (0.46) ALOX15SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL12582818 0.78 ALOX15 (0.46) ALOX15SOAT1ALDH1A1LMNAHSD17B10

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed