SCHEMBL30782815

SCHEMBL30782815

Cc1cc(-c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.77
CA2 P00918 4/20 0.77
ALDH1A1 P00352 3/20 0.77
POLB P06746 1/20 0.77
TYR P14679 1/20 0.77
HSPA5 P11021 1/20 0.61
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
HIF1A Q16665 3/20 0.59
CA1 P00915 2/20 0.52
CYP2D6 P10635 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4886301 1.00 SMN1; SMN2 (0.77) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL6866098 0.98 SMN1; SMN2 (0.74) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL17126988 0.92 SMN1; SMN2 (0.65) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL453824 0.87 SMN1; SMN2 (1.00) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL3950 0.87 SMN1; SMN2 (1.00) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL11233686 0.87 ALDH1A1 (0.59) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL16281763 0.86 SMN1; SMN2 (0.63) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL9343307 0.85 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL7075597 0.85 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR
Butylated Hydroxytoluene SCHEMBL20660368 0.85 SMN1; SMN2 (0.95) SMN1; SMN2CA2ALDH1A1POLBTYR

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
CN-111315755-B High isomerism selectivity catalyst for hydroformylation of olefins 伊士曼化工公司 2024-03-01 CN disclosed