SCHEMBL30157793

SCHEMBL30157793

COc1ccc(N2CC(C(=O)NCc3cc(Cl)ccc3C)CC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
APOBEC3A P31941 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 2/20 0.57
GAA P10253 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 1/20 0.54
CYP2C9 P11712 2/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL30157791 0.92 GAA (0.63) ALDH1A1GAATDP1POLBNPC1
SCHEMBL30158578 0.90 ALDH1A1 (0.60) ALDH1A1TSHRGAATDP1LMNA
SCHEMBL30157630 0.89 P2RX7 (0.66) ALDH1A1APOBEC3AAPOBEC3GNPSR1TSHR
SCHEMBL30158025 0.85 NPSR1 (0.69) ALDH1A1APOBEC3AAPOBEC3GNPSR1TSHR
SCHEMBL30157467 0.81 GAA (0.65) ALDH1A1GAATDP1POLBNPC1
SCHEMBL30158751 0.81 NPSR1 (0.76) ALDH1A1APOBEC3AAPOBEC3GNPSR1TSHR
SCHEMBL30157502 0.80 P2RX7 (0.70) ALDH1A1TSHRGAATDP1HPGD
SCHEMBL30157577 0.80 NPSR1 (0.70) ALDH1A1APOBEC3AAPOBEC3GNPSR1TSHR
SCHEMBL30157302 0.79 P2RX7 (0.72) ALDH1A1GAATDP1HPGDPOLB
SCHEMBL30157749 0.79 POLB (0.80) ALDH1A1APOBEC3AAPOBEC3GNPSR1TSHR

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed