SCHEMBL8576265

SCHEMBL8576265

CC[Si](CC)(CC)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL10054127 0.76 CYP2C19 (0.40) KCNN4ALDH1A1TSHRTAAR1CYP2C19
SCHEMBL7147541 0.75 KCNN4 (0.39) KCNN4ALDH1A1TSHRTAAR1MAPK1
SCHEMBL7147799 0.75 KCNN4 (0.39) KCNN4ALDH1A1TSHRTAAR1MAPK1
SCHEMBL20658045 0.71 KCNN4 (0.40) KCNN4ALDH1A1TAAR1MAPK1TP53
SCHEMBL27908532 0.70 CYP2C19 (0.46) KCNN4ALDH1A1TSHRCYP2C19HIF1A
SCHEMBL6332001 0.70 KCNN4 (0.39) KCNN4ALDH1A1TAAR1MAPK1ALOX15
SCHEMBL5818424 0.70 TSHR (0.41) KCNN4ALDH1A1TSHRTAAR1MAPK1
SCHEMBL20658056 0.69 KCNN4 (0.38) KCNN4ALDH1A1TAAR1MAPK1ALOX15
Tert-Butylbenzene SCHEMBL28018846 0.67 TAAR1 (0.41) KCNN4ALDH1A1TSHRTAAR1MAPK1
SCHEMBL20658081 0.67 MAPK1 (0.44) KCNN4ALDH1A1TSHRTAAR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003708-B1 PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF SEXUAL PHEROMONES AND THE PHEROMONES SO OBTAINED Etablissement public dit: INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 1981-08-19 — — EP claimed
US-4189614-A Process for the stereo specific preparation of sexual pheromones INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 1980-02-19 — — US claimed
EP-0003708-A1 Process for the stereoselective synthesis of sexual pheromones and the pheromones so obtained Etablissement public dit: INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 1979-08-22 — — EP claimed
US-5808112-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-09-15 — — US disclosed
US-5728899-A Preparation of cis-4-O-protected-2-cyclopentenol derivatives HOECHST MARION ROUSSEL INC. (US) 1998-03-17 — — US disclosed
EP-0817764-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-01-14 — — EP disclosed
WO-1996030320-A1 PREPARATION OF CIS-4-O-PROTECTED-2-CYCLOPENTENOL DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1996-10-03 — — WO disclosed
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