SCHEMBL18543737

SCHEMBL18543737

C=C(C)Cc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.42
SHBG P04278 1/20 0.41
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL6015464 0.85 MEN1 (0.40) MEN1KMT2AATMMAPTTSHR
SCHEMBL7492800 0.81 CTBP2 (0.50) CTBP2TAAR1MEN1KMT2AMAPT
SCHEMBL5785094 0.81 ALDH1A1 (0.50) TAAR1MEN1KMT2AATMMAPT
SCHEMBL13689936 0.80 TAAR1 (0.44) TAAR1KMT2AMAPTTSHRRAB9A
SCHEMBL23712598 0.77 CTBP2 (0.47) CTBP2TAAR1MEN1KMT2AMAPT
SCHEMBL13740254 0.77 CTBP2 (0.47) CTBP2TAAR1MEN1KMT2AMAPT
SCHEMBL6448276 0.77 TAAR1 (0.50) CTBP2TAAR1MEN1KMT2AMAPT
SCHEMBL16371621 0.77 MAPT (0.35) MEN1KMT2AMAPTALDH1A1CASP7
SCHEMBL251843 0.77 AKR1B1 (0.56) TAAR1MAPTTSHR
SCHEMBL30446395 0.77 CTBP2 (0.56) CTBP2TAAR1MEN1KMT2AMAPT

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-3472220-B1 THERMOSETTING EPOXY RESIN COMPOSITIONS USEFUL AS STRUCTURAL REINFORCEMENT OR STRUCTURAL FOAM SIKA TECH AG (CH) 2022-12-21 EP disclosed
WO-2017029104-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2017-02-23 WO disclosed