SCHEMBL30288152

SCHEMBL30288152

O=C1CCC[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL14284261 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHTTUSP2
SCHEMBL2038990 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHTTUSP2
SCHEMBL30288169 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHTTUSP2
SCHEMBL30879564 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHTTUSP2
SCHEMBL4951220 0.88 ALDH1A1 (0.42) ALDH1A1TDP1TSHRHTTUSP2
SCHEMBL9409642 0.86 POLB (0.35) TDP1KMT2APOLBRECQLL3MBTL1
SCHEMBL14159804 0.86 POLB (0.35) TDP1KMT2APOLBRECQLL3MBTL1
SCHEMBL3813245 0.80 CA1 (0.39) TDP1KMT2APOLBRECQLL3MBTL1
SCHEMBL11304467 0.76 ALDH1A1 (0.31) ALDH1A1TDP1TSHRRECQL
SCHEMBL15203373 0.75 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHTTUSP2

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-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed
US-20230105693-A1 ANTIMICROBIAL COMPOSITIONS FIRMENICH SA (CH) 2023-04-06 US disclosed