SCHEMBL7164166

SCHEMBL7164166

C=C(C)C(=O)OC(CCC)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.36
CTSK P43235 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL7164413 0.91 TSHR (0.43) ALDH1A1TSHRTHRBCTSK
SCHEMBL7169811 0.88 TSHR (0.49) ALDH1A1TSHR
SCHEMBL516452 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL14936083 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL20530421 0.81 TSHR (0.40) ALDH1A1TSHRTHRBCTSKTDP1
SCHEMBL5708448 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL27776278 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTHRBCTSKTDP1
SCHEMBL28536005 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL11863394 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTHRBCTSKHDAC7
SCHEMBL142824 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369683-A1 HUMIDITY SENSOR ELEMENT AND METHOD FOR MANUFACTURE THEREOF TDK Corporation (JP) 2003-12-10 EP disclosed
US-6615659-B2 Humidity sensor and method for manufacturing the same TDK CORPORATION (JP) 2003-09-09 US disclosed
US-20030056571-A1 Humidity sensor and method for manufacturing the same TDK CORPORATION (JP) 2003-03-27 US disclosed
US-4748169-A FLUOROPOLYMERS, PRINTED CIRCUITS DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-05-31 US disclosed