SCHEMBL31404320

SCHEMBL31404320

COC(=O)CCCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.40
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PTPRB P23467 1/20 0.36

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
SCHEMBL25754056 0.93 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL18992940 0.91 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL21451771 0.91 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL18992784 0.91 TSHR (0.56) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL9103267 0.86 TSHR (0.57) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL19432369 0.84 TSHR (0.58) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL17374772 0.81 ALDH1A1 (0.40) TSHRALDH1A1HTT
SCHEMBL13203808 0.81 TSHR (0.54) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL22309113 0.81 TSHR (0.54) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL22310252 0.79 TSHR (0.52) TSHRLMNAALDH1A1RECQLKMT2A

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-4731611-A1 TARGETED DEGRADERS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-29 EP disclosed
WO-2024263781-A1 TARGETED DEGRADERS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-12-26 WO disclosed