SCHEMBL29310011

SCHEMBL29310011

C=C(C)Nc1ccc(CCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
THRB P10828 3/20 0.45
THRA P10827 2/20 0.45
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PLK1 P53350 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL21386360 0.83 SRC (0.52) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL19825999 0.80 SMN1; SMN2 (0.46) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7211903 0.80 AOC3 (0.61) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL20902076 0.79 POLB (0.45) POLBTHRBTHRALPLLIPG
SCHEMBL20799661 0.79 THRA (0.52) POLBTHRBTHRAHPGDALDH1A1
SCHEMBL12350073 0.79 THRA (0.52) POLBTHRBTHRA
SCHEMBL15093809 0.78 HRH3 (0.65) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL17637655 0.78 LMNA (0.58) POLBTHRBNPC1RAB9AHPGD
SCHEMBL17244567 0.78 SMYD3 (0.45)
SCHEMBL23350825 0.77 RAB9A (0.40) POLBHDAC3HDAC4HDAC1HDAC7

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-3773735-B1 CONJUGATE OF CYTOTOXIC DRUG AND PRODRUG FORM OF SAID CONJUGATE SYNDIVIA (FR) 2024-07-10 EP disclosed