SCHEMBL8747402

SCHEMBL8747402

CC(CC(F)C(C)O)OC(=O)c1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
POLB P06746 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
KMT2A Q03164 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
SCHEMBL8747358 0.86 ALDH1A1 (0.35) TSHRALDH1A1POLBKMT2A
SCHEMBL10700173 0.80 TSHR (0.37) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL6953946 0.80 MAPT (0.41) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8747404 0.77 MEN1 (0.38) TSHRCYP19A1LMNACYP1A2CYP2D6
SCHEMBL130469 0.76 PDCD1 (0.47) TSHRALDH1A1LMNACYP1A2KMT2A
SCHEMBL8747429 0.75 ALDH1A1 (0.40) TSHRALDH1A1LMNAPOLBSCN1A
SCHEMBL8747427 0.75 ALDH1A1 (0.40) TSHRALDH1A1LMNAPOLBSCN1A
SCHEMBL8747453 0.73 PRKCA (0.36)
SCHEMBL7700919 0.71 SRC (0.37) TSHRALDH1A1LMNACYP2D6KMT2A
SCHEMBL6952030 0.69 ALDH1A1 (0.59) TSHRALDH1A1LMNAADRB2ADRB1

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
EP-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed