SCHEMBL18898243

SCHEMBL18898243

CC1(C)CCCNCCC1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL22154777 0.97 CXCR4 (0.39) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL19840407 0.97 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL6012129 0.94
SCHEMBL20284982 0.94 ALDH1A1 (0.44) CXCR4SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL939538 0.91 CXCR4 (0.35) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL14789140 0.91 ALDH1A1 (0.50) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL19841888 0.91 CXCR4 (0.42) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL13770430 0.91 ALDH1A1 (0.50) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL26460947 0.91 ALDH1A1 (0.50) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL21390263 0.91 ALDH1A1 (0.50) CXCR4SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022100710-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2022-05-19 WO disclosed
US-11225519-B2 Treatment of cancers using anti-NKG2A agents INNATE PHARMA (FR) 2022-01-18 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed