SCHEMBL2495908

SCHEMBL2495908

C=Cc1ccc([Si](OC(C)(C)C)(c2ccccc2)N(CC)CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SQLE Q14534 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL2497773 0.88 TP53 (0.34) ALDH1A1TSHR
SCHEMBL2499536 0.85 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL2498900 0.81 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL2500237 0.80 NPSR1 (0.30)
SCHEMBL2497634 0.78 ALDH1A1 (0.38) ALDH1A1TSHRSQLECHRNB2CHRNB4
SCHEMBL2504306 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL2498489 0.77
SCHEMBL2500388 0.74 SMN1; SMN2 (0.34) ALDH1A1TSHR
SCHEMBL2502583 0.73 TP53 (0.38) ALDH1A1TSHR
SCHEMBL4874392 0.70 ALDH1A1 (0.44) ALDH1A1TSHRCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497334-B2 Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-30 US disclosed
US-20110245407-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed