SCHEMBL9423243

SCHEMBL9423243

Cc1cc(C(C)(C)C)c(-c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
CA2 P00918 2/20 0.52
TYR P14679 1/20 0.52
HSPA5 P11021 1/20 0.42
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 3/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1D P28221 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CYP1A2 P05177 3/20 0.35

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
SCHEMBL26976671 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBCA2TYR
Butylated Hydroxytoluene SCHEMBL8034258 0.81 CA2 (0.82) SMN1; SMN2ALDH1A1POLBCA2TYR
Butylated Hydroxytoluene SCHEMBL11802507 0.76 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL11357994 0.76 POLB (0.46) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL316288 0.75 TSHR (0.50) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL1655430 0.75 GABRA1 (0.55) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL15726917 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL2172272 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL29387025 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL10342450 0.73 POLB (0.70) SMN1; SMN2ALDH1A1POLBCA2TYR

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
EP-0592439-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1994-04-20 EP disclosed
WO-1992008693-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-29 WO disclosed