SCHEMBL10978438

SCHEMBL10978438

C/C(=C\CCC(C)CC=O)CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 1/20 0.42
BTN3A1 O00481 6/20 0.41
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.30
KDM1A O60341 1/20 0.30
PTPN1 P18031 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL10978446 1.00 ALOX15 (0.42) ALOX15ALDH1A1BTN3A1TSHRACHE
SCHEMBL28073508 1.00 ALOX15 (0.42) ALOX15ALDH1A1BTN3A1TSHRACHE
SCHEMBL30312201 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL30312047 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL30312202 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL30312070 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL30312055 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL11872155 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL11863452 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A
SCHEMBL30312052 0.85 ALOX15 (0.38) ALOX15ALDH1A1TSHRUSP2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510319-A ROGANOLEPTICS FRITZSCHE DODGE & OLCOTT INC. (US) 1985-04-09 US disclosed