SCHEMBL9509529

SCHEMBL9509529

CC(C)N(C(=O)c1c(-c2ccc3ccccc3c2)c(O)c(O)c2ccccc12)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOS1 Q07889 1/20 0.38
HIF1A Q16665 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL8196128 0.71 TSHR (0.41) TSHRCYP1A2CYP2C19PSEN1PSEN2
SCHEMBL8193018 0.70 TSHR (0.41) TSHRCYP1A2CYP2C19PSEN1PSEN2
SCHEMBL6884893 0.69 SLC6A4 (0.57) NPSR1KDM4EALDH1A1LMNAMAPT
SCHEMBL26502525 0.67 HDAC4 (0.63) TSHRHDAC4HDAC2HDAC8CYP1A2
SCHEMBL8174124 0.66 TSHR (0.56) TSHRHDAC8CYP1A2CYP2D6CYP2C9
SCHEMBL31395259 0.65 TSHR (0.43) TSHRCYP1A2CYP2C9CYP2C19PSEN1
SCHEMBL12696260 0.64 ACMSD (0.50) TSHRHDAC4HDAC2HDAC8CYP1A2
SCHEMBL36279 0.64 ESR1 (0.52) TSHRHDAC4HDAC2HDAC8CYP1A2
SCHEMBL2379728 0.64 ESR1 (0.52) TSHRHDAC4HDAC2HDAC8CYP1A2
SCHEMBL29350362 0.64 ESR1 (0.52) TSHRHDAC4HDAC2HDAC8CYP1A2

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
EP-0553346-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-08-04 EP disclosed