SCHEMBL17522504

SCHEMBL17522504

CC(C)C(=O)OC1CCC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 2/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11547378 0.79 TDP1 (0.40) THRBCYP2D6TSHRCYP2C9CYP3A4
SCHEMBL5985695 0.79 TDP1 (0.40) THRBCYP2D6TSHRCYP2C9CYP3A4
SCHEMBL2953556 0.77 CA1 (0.39) CHRM2CHRM1CHRM3
SCHEMBL1472641 0.76 AKR1C4 (0.32) THRB
SCHEMBL28262962 0.76 CYP2D6 (0.38) THRBCYP1A2CYP2D6CYP19A1MEN1
SCHEMBL754296 0.75
SCHEMBL16691724 0.75 MTNR1A (0.45) THRBCYP1A2CYP2D6TSHRCYP2C9
SCHEMBL28599850 0.75 ATM (0.37) THRB
SCHEMBL28516952 0.75 ATM (0.37) THRB
SCHEMBL3649807 0.75 ATM (0.37) THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10007178-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-06-26 US disclosed
US-20160048076-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-18 US disclosed
US-20160048076-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-18 US disclosed