SCHEMBL9876332

SCHEMBL9876332

CC(C)c1ccc2ccc(-c3ccccc3)c-2cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.46
PTGS1 P23219 3/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
AKR1C4 P17516 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 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
SCHEMBL10878358 0.95 MAPT (0.50) PTGS2MEN1KMT2AMAPTLMNA
SCHEMBL9177210 0.92 LMNA (0.50) PTGS2MEN1KMT2AMAPTLMNA
SCHEMBL40528 0.87 PTGS2 (0.58) PTGS2MEN1KMT2AMAPTLMNA
SCHEMBL20833031 0.87 PTGS2 (0.58) PTGS2MEN1KMT2AMAPTLMNA
SCHEMBL10878363 0.86 LMNA (0.54) PTGS2MEN1KMT2AMAPTLMNA
Methane SCHEMBL27572717 0.85 PTGS2 (0.56) PTGS2MEN1KMT2AMAPTLMNA
Water SCHEMBL11022921 0.85 PTGS2 (0.56) PTGS2MEN1KMT2AMAPTLMNA
Phosphoric Acid SCHEMBL28533819 0.84 ACP3 (0.52) PTGS2MEN1KMT2AMAPTLMNA
Methyl Alcohol SCHEMBL10448872 0.83 PTGS2 (0.59) PTGS2MEN1KMT2AMAPTLMNA
SCHEMBL9875654 0.81 RXRA (0.53) PTGS2MEN1KMT2AMAPTLMNA

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