SCHEMBL29408145

SCHEMBL29408145

Cc1[nH]c(-c2ccc(OC(F)F)cn2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 9/20 0.42
▸ CYP4A11 Q02928 9/20 0.42
▸ TGFBR1 P36897 1/20 0.40
▸ TGFBR2 P37173 1/20 0.40
▸ PTGES O14684 3/20 0.37
▸ TNKS O95271 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.35

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
SCHEMBL28689740 1.00 CYP4F2 (0.42) CYP4F2CYP4A11TGFBR1TGFBR2PTGES
SCHEMBL28689724 0.81 BRD4 (0.48) NOTUMMAPTMEN1ALDH1A1KMT2A
SCHEMBL29408303 0.76 PIN1 (0.47) TGFBR1TGFBR2PTGESDHODHMEN1
SCHEMBL28708977 0.76 PIN1 (0.47) TGFBR1TGFBR2PTGESDHODHMEN1
SCHEMBL22678379 0.75 MEN1 (0.42) MAPTMEN1KMT2A
SCHEMBL29408254 0.75 MEN1 (0.42) MAPTMEN1KMT2A
SCHEMBL29408212 0.74 BRD4 (0.41) DHODHALDH1A1TAS2R14
SCHEMBL28689722 0.71 BRD4 (0.55) NOTUMTAS2R14
SCHEMBL38665771 0.70 TAS2R14 (0.43) MAPTMEN1ALDH1A1KMT2ATEAD4
SCHEMBL18036035 0.70 PDE2A (0.51) PTGES

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
EP-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 — — EP disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 — — CN disclosed
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