SCHEMBL11684381

SCHEMBL11684381

CCC(CC=O)CCC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 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
SCHEMBL11867506 0.86 ALOX15 (0.32) ALOX15TSHRFNTAFNTB
SCHEMBL11867513 0.86 ALOX15 (0.32) ALOX15TSHRFNTAFNTB
SCHEMBL11802267 0.86 ALOX15 (0.43) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL23412066 0.84 ALOX15 (0.36) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL11796541 0.83 TSHR (0.41) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL27860765 0.83 ALOX15 (0.48) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL11867598 0.82
SCHEMBL11681915 0.82 TSHR (0.40) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL11683514 0.81 ALOX15 (0.46) ALOX15TSHRALDH1A1FNTAFNTB
SCHEMBL8193261 0.81 ALDH1A1 (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029709-A Process for the hydrogenation of citral to citronellal and of citronellal to citronellol using chromium-promoted Raney nickel catalyst RHODIA, INC. (US) 1977-06-14 US claimed
US-3997610-A DISTILLATION, METAL BORATE RHONE-POULENC S.A. (FR) 1976-12-14 US claimed
EP-4230060-A1 SMOKING PRODUCT CONTAINING NOVEL FLAVORING AGENT KT & G Corporation (KR) 2023-08-23 EP disclosed
US-4029709-A Process for the hydrogenation of citral to citronellal and of citronellal to citronellol using chromium-promoted Raney nickel catalyst RHODIA, INC. (US) 1977-06-14 US disclosed
US-3997610-A DISTILLATION, METAL BORATE RHONE-POULENC S.A. (FR) 1976-12-14 US disclosed