SCHEMBL31035358

SCHEMBL31035358

CCc1c(C)ccc2oc(N3CCOCC3)c(C)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
PRKDC P78527 6/20 0.37
KCNA3 P22001 1/20 0.36
NSD2 O96028 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.34
NUDT1 P36639 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL31035356 0.86 PIK3CA (0.37) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL31035103 0.81 NUDT1 (0.37) P2RY12HSD17B10KMT2AMEN1TSHR
SCHEMBL28095508 0.79 PRKDC (0.45) P2RY12HSD17B10KMT2AMEN1TSHR
SCHEMBL28095893 0.73 P2RY12 (0.44) P2RY12KMT2AMEN1TSHRPRKDC
Formamide SCHEMBL20768110 0.73 PRKDC (0.41) P2RY12KMT2AMEN1PRKDCKCNA3
SCHEMBL31035311 0.72 PRKDC (0.61) P2RY12HSD17B10KMT2ATSHRPRKDC
SCHEMBL7315291 0.68 PRKDC (0.59) P2RY12HSD17B10KMT2AMEN1TSHR
SCHEMBL29160481 0.68 TTR (0.48) P2RY12HSD17B10KMT2AMEN1PRKDC
Formamide SCHEMBL29160413 0.67 P2RY12 (0.39) P2RY12KMT2AMEN1PRKDCKCNA3
SCHEMBL28095892 0.67 P2RY12 (0.45) P2RY12KMT2AMEN1TSHRPRKDC

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-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed