SCHEMBL30006175

SCHEMBL30006175

NNC(=O)[C@H]1Cc2ccccc2[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX7 Q99572 2/20 0.38
BLM P54132 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 4/20 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
SCHEMBL8409827 1.00 ALDH1A1 (0.47) ALDH1A1HDAC4HDAC7HDAC5HDAC3
SCHEMBL30006531 1.00 ALDH1A1 (0.47) ALDH1A1HDAC4HDAC7HDAC5HDAC3
SCHEMBL28127659 0.82 ALDH1A1 (0.41) ALDH1A1BLMTSHRKDM1A
SCHEMBL8048881 0.80 MEN1 (0.44) ALDH1A1HDAC4HDAC7HDAC5CYP1A2
SCHEMBL8047735 0.80 MEN1 (0.44) ALDH1A1HDAC4HDAC7HDAC5CYP1A2
SCHEMBL30006405 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7351251 0.78 HDAC4 (0.40) ALDH1A1HDAC4HDAC7HDAC5P2RX7
SCHEMBL22992354 0.78 CYP1A2 (0.42) ALDH1A1HDAC4HDAC7HDAC5HDAC3
SCHEMBL30006430 0.78 HDAC4 (0.40) ALDH1A1HDAC4HDAC7HDAC5P2RX7
SCHEMBL28328988 0.75 KDM1A (0.38) KDM1A

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-4079805-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2026-02-18 EP disclosed
EP-4079805-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2022-10-26 EP disclosed