SCHEMBL9876894

SCHEMBL9876894

CC(C)c1ccc2ccc(-c3ccc(Cl)cc3)c-2cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
PTGS2 P35354 2/20 0.42
AKT1 P31749 2/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
AHR P35869 2/20 0.40
ERN1 O75460 1/20 0.40
RAB9A P51151 2/20 0.40
ADK P55263 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL12591826 0.87 ADRB2 (0.56) ADRB2AKT1LMNATSHRMAPK1
SCHEMBL197810 0.84 ADRB2 (0.65) ADRB2LMNATSHRMAPK1HIF1A
SCHEMBL9254409 0.83 AHR (0.59) LMNAAHRTP53
Hydrochloric Acid SCHEMBL28767407 0.82 ADRB2 (0.62) ADRB2LMNATSHRMAPK1HIF1A
SCHEMBL30720007 0.82 ADRB2 (0.62) ADRB2LMNATSHRMAPK1HIF1A
Hydrogen Sulfide SCHEMBL28263778 0.82 ADRB2 (0.62) ADRB2LMNATSHRMAPK1HIF1A
SCHEMBL4445207 0.82 ADRB2 (0.62) ADRB2LMNATSHRMAPK1HIF1A
SCHEMBL14670096 0.81 LMNA (0.48) ADRB2LMNATSHRAHRPTGS1
SCHEMBL9876351 0.81 LMNA (0.46) LMNATDP1ERN1RAB9AMEN1
SCHEMBL9876332 0.81 PTGS2 (0.47) PTGS2LMNATSHRHIF1ARAB9A

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed