SCHEMBL18989366

SCHEMBL18989366

O=C[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.42
CAPN1 P07384 2/20 0.38
LMNA P02545 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MTOR P42345 1/20 0.38
CES2 O00748 1/20 0.37
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18989435 0.92 RXRA (0.40) TACR1CAPN1RXRARXRBRXRG
SCHEMBL2546712 0.86 HTR2A (0.49) LMNA
SCHEMBL17078161 0.85 RXRA (0.46) RXRARXRBRXRG
SCHEMBL6344818 0.80 CAPN1 (0.40) CAPN1
SCHEMBL3292711 0.74 CAPN1 (0.61) CAPN1
SCHEMBL2369340 0.74 CAPN1 (0.61) CAPN1
SCHEMBL17865652 0.74 CAPN1 (0.61) CAPN1
SCHEMBL25382819 0.73 CAPN1 (0.47) CAPN1ALDH1A1
SCHEMBL3989376 0.73 CAPN1 (0.47) CAPN1ALDH1A1
SCHEMBL12341528 0.72 ACACB (0.46) CAPN1

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-3402777-A1 OXAZOLIDINONES AS TARO INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-11-21 EP disclosed
WO-2017106138-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed