SCHEMBL11713630

SCHEMBL11713630

CN(CCCO)CCCN(C)CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CHRM2 P08172 2/20 0.41
ALDH1A1 P00352 3/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LSS P48449 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 4/20 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
SCHEMBL26756027 1.00 MAPT (0.42) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL15287 0.97 MAPT (0.44) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL7108954 0.93 CA12 (0.44) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL2978725 0.91 MAPT (0.50) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL3428918 0.90
SCHEMBL16105559 0.90 CHRM2 (0.46) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL26756024 0.90 CHRM2 (0.52) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL24631447 0.89 KDM5A (0.37) MAPTCHRM2ALDH1A1CA12CA2
SCHEMBL26493909 0.88 CHRM2 (0.50) MAPTCHRM2ALDH1A1LSSSMN1; SMN2
SCHEMBL26493928 0.88 CHRM2 (0.50) MAPTCHRM2ALDH1A1LSSSMN1; SMN2

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
US-4048322-A Bronchially effective xanthene-9-carboxylates RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-09-13 US disclosed
US-4044146-A CHOLINOLYTIC, BRONCHOSPASMOLYTIC RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1977-08-23 US disclosed