SCHEMBL24165329

SCHEMBL24165329

CC1Cc2c(C(F)(F)F)nn(CC(=O)O)c2C1(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ TSHR P16473 4/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLQ O75417 2/20 0.35
▸ POLB P06746 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ AADAT Q8N5Z0 1/20 0.33
▸ TP53 P04637 2/20 0.32

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
SCHEMBL19890880 1.00 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL24088583 1.00 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL20079129 0.82 TSHR (0.32) LMNATSHRNPSR1GAATDP1
SCHEMBL23793795 0.82 TSHR (0.32) LMNATSHRNPSR1GAATDP1
SCHEMBL24998592 0.81 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL20079069 0.80 ALDH1A1 (0.31) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL23940856 0.79 TSHR (0.30) TSHR
SCHEMBL25615831 0.76 TDP1 (0.42) LMNATSHRALDH1A1TDP1MAPT
SCHEMBL20430613 0.76 LMNA (0.58) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL21695108 0.75 LMNA (0.42) LMNATSHRNPSR1GAAALDH1A1

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
EP-3668860-B1 CHOLINE SALT FORMS OF AN HIV CAPSID INHIBITOR GILEAD SCIENCES INC (US) 2022-01-05 — — EP disclosed
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