SCHEMBL25957911

SCHEMBL25957911

CC(C)CCCCNC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
LMNA P02545 1/20 0.39
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
METAP1 P53582 1/20 0.33
SQLE Q14534 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GRIN2B Q13224 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
SCHEMBL24437744 0.91 ALDH1A1 (0.41) GNAI3GNAO1GNAI1LMNAALDH1A1
SCHEMBL24437738 0.91 ALDH1A1 (0.44) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL22507525 0.90 CXCR4 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11055203 0.88 CXCR4 (0.42) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL19560897 0.86 GNAI3 (0.61) GNAI3GNAO1GNAI1LMNAALDH1A1
SCHEMBL19604920 0.85 GNAI3 (0.64) GNAI3GNAO1GNAI1LMNACXCR4
SCHEMBL15934161 0.84 ALDH1A1 (0.42) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL11932559 0.84 ALDH1A1 (0.46) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL7584311 0.84 KMT2A (0.34) GNAI3GNAO1GNAI1SMYD3ALDH1A1
SCHEMBL21799530 0.84 MMP2 (0.36) GNAI3GNAO1GNAI1SMYD3ALDH1A1

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-4056898-B1 BIOMASS HEATING SYSTEM WITH A CONTROL DEVICE OPTIMIZED BY MEANS OF MACHINE LEARNING AND CORRESPONDING METHOD SL TECHNIK GMBH (AT) 2023-08-09 EP disclosed