SCHEMBL23512464

SCHEMBL23512464

CCc1ccc(-c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ RXRA P19793 1/20 0.54
▸ RXRB P28702 1/20 0.54
▸ PPARD Q03181 2/20 0.54
▸ PPARG P37231 1/20 0.54
▸ LTB4R2 Q9NPC1 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ FFAR1 O14842 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL2336059 0.94 ALOX15 (0.61) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
Formaldehyde SCHEMBL28598974 0.91 ALOX15 (0.57) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
SCHEMBL7813264 0.89 ALOX15 (0.55) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
SCHEMBL2780802 0.87 ALOX15 (0.71) ALOX15SMN1; SMN2ALDH1A1TSHRPPARD
SCHEMBL22144522 0.85 RARB (0.54) SMN1; SMN2ALDH1A1RXRARXRBPPARD
SCHEMBL12646485 0.84 ALOX15 (0.57) ALOX15SMN1; SMN2ALDH1A1PPARDPPARG
SCHEMBL421532 0.81 L3MBTL1 (0.59) ALOX15SMN1; SMN2ALDH1A1TSHRFFAR1
SCHEMBL25146826 0.81 ALDH1A1 (0.54) ALOX15SMN1; SMN2ALDH1A1TSHRPPARD
SCHEMBL9653716 0.81 PPARA (0.64) ALDH1A1TSHRPPARGLTB4R2PPARA
SCHEMBL422442 0.81 ALOX15 (0.76) ALOX15SMN1; SMN2ALDH1A1PPARDPPARG

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
WO-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 — — WO disclosed
Send feedback